Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.41 |
| ▸ | MEN1 | O00255 | 7/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9708230 | 0.90 | KMT2A (0.45) | ALDH1A1KDM4EHTTHPGDMAPT | |
| SCHEMBL9708857 | 0.90 | ALDH1A1 (0.39) | ALDH1A1KDM4EHTTHPGDMAPT | |
| SCHEMBL9707767 | 0.89 | MEN1 (0.50) | ALDH1A1KDM4EHTTHPGDMAPT | |
| SCHEMBL9708379 | 0.89 | MEN1 (0.46) | ALDH1A1KDM4EHTTKMT2AMEN1 | |
| SCHEMBL9707658 | 0.88 | KMT2A (0.41) | ALDH1A1KDM4EHTTHPGDMAPT | |
| SCHEMBL9707770 | 0.87 | AGTR1 (0.50) | KMT2AMEN1AGTR1AGTR2 | |
| SCHEMBL9708067 | 0.87 | PDE5A (0.51) | AGTR1AGTR2ADORA3PDE5APDE4A | |
| SCHEMBL9707484 | 0.87 | KDM4E (0.49) | ALDH1A1KDM4EHTTHPGDMAPT | |
| SCHEMBL9708799 | 0.87 | KMT2A (0.51) | ALDH1A1KDM4EHTTHPGDMAPT | |
| SCHEMBL9707461 | 0.87 | AGTR1 (0.48) | KMT2AMEN1AGTR1AGTR2RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |